1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine

C16H27N3O3S — CID 136512905

IUPAC1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(C)c2ccccn2)CC1
InChIInChI=1S/C16H27N3O3S/c1-14(2)22-12-13-23(20,21)19-10-8-18(9-11-19)15(3)16-6-4-5-7-17-16/h4-7,14-15H,8-13H2,1-3H3
InChIKeyWGZDMSFEIPKVES-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.51
Rot. Bonds7

About 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine

1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine (PubChem CID 136512905) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine
PubChem CID136512905
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(C)c2ccccn2)CC1
InChIInChI=1S/C16H27N3O3S/c1-14(2)22-12-13-23(20,21)19-10-8-18(9-11-19)15(3)16-6-4-5-7-17-16/h4-7,14-15H,8-13H2,1-3H3
InChIKeyWGZDMSFEIPKVES-UHFFFAOYSA-N
XLogP1.51
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine?
The IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine (CID 136512905) is 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine is CC(C)OCCS(=O)(=O)N1CCN(C(C)c2ccccn2)CC1.
What is the InChIKey of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine?
The InChIKey is WGZDMSFEIPKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14(2)22-12-13-23(20,21)19-10-8-18(9-11-19)15(3)16-6-4-5-7-17-16/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine?
1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine has a molecular weight of 341.48 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 136512905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).